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16 similar compounds to monomer 50240826

Compile data set for download or QSAR
Wt: 462.5
BDBM50159284
Wt: 472.4
BDBM50240809
Wt: 470.9
BDBM50240810
Wt: 470.9
BDBM50240811
Wt: 450.5
BDBM50240812
Wt: 4256.9
BDBM50240822
Wt: 3819.0
BDBM50240821
Wt: 397.4
BDBM50264244
Wt: 451.6
BDBM50264248
Wt: 379.4
BDBM50264245
Wt: 397.3
BDBM50264246
Wt: 423.5
BDBM50264276
Wt: 484.5
BDBM50264277
Wt: 306.3
BDBM50264307
Wt: 309.3
BDBM50264308
Displayed 1 to 15 (of 16 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 50159284,50240809,50240810,50240811,50240812,50240822,50240821,50264244,50264248,50264245,50264246,50264276,50264277,50264307,50264308   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
4-hydroxyphenylpyruvate dioxygenase


(Arabidopsis thaliana)
BDBM50264307
PNG
(CHEMBL4093474)
Show SMILES Cc1cccc2cc(C(=O)C3C(=O)CCCC3=O)c(nc12)C#N
Show InChI InChI=1S/C18H14N2O3/c1-10-4-2-5-11-8-12(13(9-19)20-17(10)11)18(23)16-14(21)6-3-7-15(16)22/h2,4-5,8,16H,3,6-7H2,1H3
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7n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana HPPD expressed in Escherichia coli BL21(DE3) using HPPA as substrate after 10 mins by UV-Vis spectrometric analysi...


J Med Chem 60: 4101-4125 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01395
BindingDB Entry DOI: 10.7270/Q2FN18ND
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Arabidopsis thaliana)
BDBM50264308
PNG
(CHEMBL4061385)
Show SMILES CC1CC(=O)C(C(=O)c2cc3cccc(C)c3nc2C)C(=O)C1
Show InChI InChI=1S/C19H19NO3/c1-10-7-15(21)17(16(22)8-10)19(23)14-9-13-6-4-5-11(2)18(13)20-12(14)3/h4-6,9-10,17H,7-8H2,1-3H3
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7n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana HPPD expressed in Escherichia coli BL21(DE3) using HPPA as substrate after 10 mins by UV-Vis spectrometric analysi...


J Med Chem 60: 4101-4125 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01395
BindingDB Entry DOI: 10.7270/Q2FN18ND
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50264277
PNG
(CHEMBL4092499)
Show SMILES FC(F)(F)Oc1ccc2cccnc2c1N1CCCN(Cc2csc(n2)-c2ccccc2)CC1
Show InChI InChI=1S/C25H23F3N4OS/c26-25(27,28)33-21-10-9-18-8-4-11-29-22(18)23(21)32-13-5-12-31(14-15-32)16-20-17-34-24(30-20)19-6-2-1-3-7-19/h1-4,6-11,17H,5,12-16H2
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40n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50264277
PNG
(CHEMBL4092499)
Show SMILES FC(F)(F)Oc1ccc2cccnc2c1N1CCCN(Cc2csc(n2)-c2ccccc2)CC1
Show InChI InChI=1S/C25H23F3N4OS/c26-25(27,28)33-21-10-9-18-8-4-11-29-22(18)23(21)32-13-5-12-31(14-15-32)16-20-17-34-24(30-20)19-6-2-1-3-7-19/h1-4,6-11,17H,5,12-16H2
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42n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50264248
PNG
(CHEMBL4090193)
Show SMILES Cc1ccn2ccnc2c1N1CCCN(CC2CCN(CC2)C(=O)[C@H]2C[C@@H]3CC[C@H]2O3)CC1
Show InChI InChI=1S/C26H37N5O2/c1-19-5-11-30-14-8-27-25(30)24(19)29-10-2-9-28(15-16-29)18-20-6-12-31(13-7-20)26(32)22-17-21-3-4-23(22)33-21/h5,8,11,14,20-23H,2-4,6-7,9-10,12-13,15-18H2,1H3/t21-,22-,23+/m0/s1
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501n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50264248
PNG
(CHEMBL4090193)
Show SMILES Cc1ccn2ccnc2c1N1CCCN(CC2CCN(CC2)C(=O)[C@H]2C[C@@H]3CC[C@H]2O3)CC1
Show InChI InChI=1S/C26H37N5O2/c1-19-5-11-30-14-8-27-25(30)24(19)29-10-2-9-28(15-16-29)18-20-6-12-31(13-7-20)26(32)22-17-21-3-4-23(22)33-21/h5,8,11,14,20-23H,2-4,6-7,9-10,12-13,15-18H2,1H3/t21-,22-,23+/m0/s1
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520n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50264276
PNG
(CHEMBL4066544)
Show SMILES Cc1ccn2ccnc2c1N1CCCN(CC2CCN(CC2)C(=O)C2CCCC2)CC1
Show InChI InChI=1S/C25H37N5O/c1-20-7-13-29-16-10-26-24(29)23(20)28-12-4-11-27(17-18-28)19-21-8-14-30(15-9-21)25(31)22-5-2-3-6-22/h7,10,13,16,21-22H,2-6,8-9,11-12,14-15,17-19H2,1H3
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950n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50264276
PNG
(CHEMBL4066544)
Show SMILES Cc1ccn2ccnc2c1N1CCCN(CC2CCN(CC2)C(=O)C2CCCC2)CC1
Show InChI InChI=1S/C25H37N5O/c1-20-7-13-29-16-10-26-24(29)23(20)28-12-4-11-27(17-18-28)19-21-8-14-30(15-9-21)25(31)22-5-2-3-6-22/h7,10,13,16,21-22H,2-6,8-9,11-12,14-15,17-19H2,1H3
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1.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50240811
PNG
(CHEMBL4091460)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(N[C@H](CO)c2ccccc2)cnc1-c1cc(Cl)ccc1O
Show InChI InChI=1S/C27H23ClN4O2/c1-16-21-11-18(7-9-24(21)32-31-16)22-13-20(30-25(15-33)17-5-3-2-4-6-17)14-29-27(22)23-12-19(28)8-10-26(23)34/h2-14,25,30,33-34H,15H2,1H3,(H,31,32)/t25-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FGFR2 using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA


J Med Chem 60: 6018-6035 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00076
BindingDB Entry DOI: 10.7270/Q2K939NC
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM50240809
PNG
(CHEMBL4077448)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1cc(F)cc(F)c1O
Show InChI InChI=1S/C27H22F2N4O2/c1-15-20-9-17(7-8-24(20)33-32-15)21-12-19(31-25(14-34)16-5-3-2-4-6-16)13-30-26(21)22-10-18(28)11-23(29)27(22)35/h2-13,25,31,34-35H,14H2,1H3,(H,32,33)/t25-/m0/s1
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n/an/a 58n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FGFR3 using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA


J Med Chem 60: 6018-6035 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00076
BindingDB Entry DOI: 10.7270/Q2K939NC
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM50240811
PNG
(CHEMBL4091460)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(N[C@H](CO)c2ccccc2)cnc1-c1cc(Cl)ccc1O
Show InChI InChI=1S/C27H23ClN4O2/c1-16-21-11-18(7-9-24(21)32-31-16)22-13-20(30-25(15-33)17-5-3-2-4-6-17)14-29-27(22)23-12-19(28)8-10-26(23)34/h2-14,25,30,33-34H,15H2,1H3,(H,31,32)/t25-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FGFR3 using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA


J Med Chem 60: 6018-6035 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00076
BindingDB Entry DOI: 10.7270/Q2K939NC
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM50240810
PNG
(CHEMBL4095830)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(NC[C@H](O)c2ccccc2)cnc1-c1cc(Cl)ccc1O
Show InChI InChI=1S/C27H23ClN4O2/c1-16-21-11-18(7-9-24(21)32-31-16)22-13-20(29-15-26(34)17-5-3-2-4-6-17)14-30-27(22)23-12-19(28)8-10-25(23)33/h2-14,26,29,33-34H,15H2,1H3,(H,31,32)/t26-/m0/s1
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n/an/a 402n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FGFR3 using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA


J Med Chem 60: 6018-6035 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00076
BindingDB Entry DOI: 10.7270/Q2K939NC
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50240812
PNG
(CHEMBL4082023)
Show SMILES COc1ccccc1-c1ncc(N[C@@H](CO)c2ccccc2)cc1-c1ccc2[nH]nc(C)c2c1
Show InChI InChI=1S/C28H26N4O2/c1-18-23-14-20(12-13-25(23)32-31-18)24-15-21(30-26(17-33)19-8-4-3-5-9-19)16-29-28(24)22-10-6-7-11-27(22)34-2/h3-16,26,30,33H,17H2,1-2H3,(H,31,32)/t26-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FGFR2 using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA


J Med Chem 60: 6018-6035 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00076
BindingDB Entry DOI: 10.7270/Q2K939NC
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50240809
PNG
(CHEMBL4077448)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1cc(F)cc(F)c1O
Show InChI InChI=1S/C27H22F2N4O2/c1-15-20-9-17(7-8-24(20)33-32-15)21-12-19(31-25(14-34)16-5-3-2-4-6-16)13-30-26(21)22-10-18(28)11-23(29)27(22)35/h2-13,25,31,34-35H,14H2,1H3,(H,32,33)/t25-/m0/s1
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n/an/a 280n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of FGFR2 in human SNU16 cells assessed as inhibition of cell proliferation after 72 hrs by cell counting kit-8 assay


J Med Chem 60: 6018-6035 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00076
BindingDB Entry DOI: 10.7270/Q2K939NC
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50240821
PNG
(CHEMBL4100575)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COc1ccc(cc1C(O)=O)-c1ccc(F)cc1F)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O
Show InChI InChI=1S/C172H247F2N43O54/c1-17-88(10)140(167(264)195-92(14)146(243)203-121(68-99-72-186-108-35-25-24-34-104(99)108)157(254)205-117(63-85(4)5)158(255)214-138(86(6)7)165(262)202-110(38-29-57-185-172(179)180)149(246)187-74-128(225)196-109(37-28-56-184-171(177)178)148(245)190-77-137(238)239)216-159(256)119(64-95-30-20-18-21-31-95)206-154(251)115(49-54-135(234)235)201-153(250)111(36-26-27-55-182-131(228)81-270-61-60-269-59-58-183-132(229)82-271-126-50-41-98(67-105(126)170(267)268)103-45-42-100(173)69-106(103)174)198-144(241)90(12)192-143(240)89(11)194-152(249)114(46-51-127(176)224)197-129(226)75-188-151(248)113(48-53-134(232)233)200-155(252)116(62-84(2)3)204-156(253)118(66-97-39-43-102(223)44-40-97)207-162(259)123(78-218)210-164(261)125(80-220)211-166(263)139(87(8)9)215-161(258)122(71-136(236)237)208-163(260)124(79-219)212-169(266)142(94(16)222)217-160(257)120(65-96-32-22-19-23-33-96)209-168(265)141(93(15)221)213-130(227)76-189-150(247)112(47-52-133(230)231)199-145(242)91(13)193-147(244)107(175)70-101-73-181-83-191-101/h18-25,30-35,39-45,50,67,69,72-73,83-94,107,109-125,138-142,186,218-223H,17,26-29,36-38,46-49,51-66,68,70-71,74-82,175H2,1-16H3,(H2,176,224)(H,181,191)(H,182,228)(H,183,229)(H,187,246)(H,188,248)(H,189,247)(H,190,245)(H,192,240)(H,193,244)(H,194,249)(H,195,264)(H,196,225)(H,197,226)(H,198,241)(H,199,242)(H,200,252)(H,201,250)(H,202,262)(H,203,243)(H,204,253)(H,205,254)(H,206,251)(H,207,259)(H,208,260)(H,209,265)(H,210,261)(H,211,263)(H,212,266)(H,213,227)(H,214,255)(H,215,258)(H,216,256)(H,217,257)(H,230,231)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H,267,268)(H4,177,178,184)(H4,179,180,185)/t88-,89-,90-,91-,92-,93+,94+,107-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,138-,139-,140-,141-,142-/m0/s1
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n/an/an/an/a 0.221n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1 receptor expressed in HEK293 cells harboring mCerulean and mCitrine fused Epac protein assessed as increase in cAMP le...


J Med Chem 60: 7434-7446 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00787
BindingDB Entry DOI: 10.7270/Q29S1T5W
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50240822
PNG
(CHEMBL4079706)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCNC(=O)COc1ccc(cc1C(O)=O)-c1ccc(F)cc1F)NC(=O)CC[C@H](NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12)C(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O
Show InChI InChI=1S/C195H267ClF2N46O58/c1-19-98(10)160(188(293)219-102(14)166(271)229-139(77-111-83-210-124-38-27-26-37-118(111)124)178(283)231-135(72-95(4)5)179(284)240-158(96(6)7)186(291)228-127(42-32-70-209-195(203)204)170(275)211-85-149(254)221-126(41-31-69-208-194(201)202)169(274)214-88-157(266)267)242-180(285)137(73-106-33-22-20-23-34-106)232-175(280)132(59-66-155(262)263)227-174(279)128(39-28-29-67-207-168(273)125(40-30-68-206-152(257)92-302-145-61-47-110(76-121(145)192(297)298)117-54-50-113(197)78-122(117)198)220-147(252)63-56-133(193(299)300)223-148(253)81-119-103(15)244(144-60-53-116(301-18)80-120(119)144)191(296)109-45-48-112(196)49-46-109)224-164(269)100(12)216-163(268)99(11)218-173(278)131(55-62-146(200)251)222-150(255)86-212-172(277)130(58-65-154(260)261)226-176(281)134(71-94(2)3)230-177(282)136(75-108-43-51-115(250)52-44-108)233-183(288)141(89-245)236-185(290)143(91-247)237-187(292)159(97(8)9)241-182(287)140(82-156(264)265)234-184(289)142(90-246)238-190(295)162(105(17)249)243-181(286)138(74-107-35-24-21-25-36-107)235-189(294)161(104(16)248)239-151(256)87-213-171(276)129(57-64-153(258)259)225-165(270)101(13)217-167(272)123(199)79-114-84-205-93-215-114/h20-27,33-38,43-54,60-61,76,78,80,83-84,93-102,104-105,123,125-143,158-162,210,245-250H,19,28-32,39-42,55-59,62-75,77,79,81-82,85-92,199H2,1-18H3,(H2,200,251)(H,205,215)(H,206,257)(H,207,273)(H,211,275)(H,212,277)(H,213,276)(H,214,274)(H,216,268)(H,217,272)(H,218,278)(H,219,293)(H,220,252)(H,221,254)(H,222,255)(H,223,253)(H,224,269)(H,225,270)(H,226,281)(H,227,279)(H,228,291)(H,229,271)(H,230,282)(H,231,283)(H,232,280)(H,233,288)(H,234,289)(H,235,294)(H,236,290)(H,237,292)(H,238,295)(H,239,256)(H,240,284)(H,241,287)(H,242,285)(H,243,286)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,297,298)(H,299,300)(H4,201,202,208)(H4,203,204,209)/t98-,99-,100-,101-,102-,104+,105+,123-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,158-,159-,160-,161-,162-/m0/s1
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n/an/an/an/a 0.547n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1 receptor expressed in HEK293 cells harboring mCerulean and mCitrine fused Epac protein assessed as increase in cAMP le...


J Med Chem 60: 7434-7446 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00787
BindingDB Entry DOI: 10.7270/Q29S1T5W
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM50264244
PNG
(CHEMBL4104444)
Show SMILES ONC(=O)Cc1ccc(NC(=O)CCCCCCC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C22H27N3O4/c26-20(23-18-8-4-3-5-9-18)10-6-1-2-7-11-21(27)24-19-14-12-17(13-15-19)16-22(28)25-29/h3-5,8-9,12-15,29H,1-2,6-7,10-11,16H2,(H,23,26)(H,24,27)(H,25,28)
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n/an/a 2.00E+3n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay


J Med Chem 61: 3697-3711 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00232
BindingDB Entry DOI: 10.7270/Q2Q52S3G
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM50264245
PNG
(CHEMBL4103745)
Show SMILES COC(=O)[C@H](CCC(=O)NO)NC(=O)CCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C18H25N3O6/c1-27-18(25)14(11-12-17(24)21-26)20-16(23)10-6-5-9-15(22)19-13-7-3-2-4-8-13/h2-4,7-8,14,26H,5-6,9-12H2,1H3,(H,19,22)(H,20,23)(H,21,24)/t14-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay


J Med Chem 61: 3697-3711 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00232
BindingDB Entry DOI: 10.7270/Q2Q52S3G
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM50264246
PNG
(CHEMBL4083902)
Show SMILES COC(=O)[C@H](CCC(=O)NO)NC(=O)CCCCC(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C18H24FN3O6/c1-28-18(26)14(10-11-17(25)22-27)21-16(24)5-3-2-4-15(23)20-13-8-6-12(19)7-9-13/h6-9,14,27H,2-5,10-11H2,1H3,(H,20,23)(H,21,24)(H,22,25)/t14-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay


J Med Chem 61: 3697-3711 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00232
BindingDB Entry DOI: 10.7270/Q2Q52S3G
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50240810
PNG
(CHEMBL4095830)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(NC[C@H](O)c2ccccc2)cnc1-c1cc(Cl)ccc1O
Show InChI InChI=1S/C27H23ClN4O2/c1-16-21-11-18(7-9-24(21)32-31-16)22-13-20(29-15-26(34)17-5-3-2-4-6-17)14-30-27(22)23-12-19(28)8-10-25(23)33/h2-14,26,29,33-34H,15H2,1H3,(H,31,32)/t26-/m0/s1
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n/an/a 72n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FGFR2 using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA


J Med Chem 60: 6018-6035 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00076
BindingDB Entry DOI: 10.7270/Q2K939NC
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50240809
PNG
(CHEMBL4077448)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1cc(F)cc(F)c1O
Show InChI InChI=1S/C27H22F2N4O2/c1-15-20-9-17(7-8-24(20)33-32-15)21-12-19(31-25(14-34)16-5-3-2-4-6-16)13-30-26(21)22-10-18(28)11-23(29)27(22)35/h2-13,25,31,34-35H,14H2,1H3,(H,32,33)/t25-/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver.


J Med Chem 60: 6018-6035 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00076
BindingDB Entry DOI: 10.7270/Q2K939NC
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM50240812
PNG
(CHEMBL4082023)
Show SMILES COc1ccccc1-c1ncc(N[C@@H](CO)c2ccccc2)cc1-c1ccc2[nH]nc(C)c2c1
Show InChI InChI=1S/C28H26N4O2/c1-18-23-14-20(12-13-25(23)32-31-18)24-15-21(30-26(17-33)19-8-4-3-5-9-19)16-29-28(24)22-10-6-7-11-27(22)34-2/h3-16,26,30,33H,17H2,1-2H3,(H,31,32)/t26-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FGFR3 using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA


J Med Chem 60: 6018-6035 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00076
BindingDB Entry DOI: 10.7270/Q2K939NC
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50240812
PNG
(CHEMBL4082023)
Show SMILES COc1ccccc1-c1ncc(N[C@@H](CO)c2ccccc2)cc1-c1ccc2[nH]nc(C)c2c1
Show InChI InChI=1S/C28H26N4O2/c1-18-23-14-20(12-13-25(23)32-31-18)24-15-21(30-26(17-33)19-8-4-3-5-9-19)16-29-28(24)22-10-6-7-11-27(22)34-2/h3-16,26,30,33H,17H2,1-2H3,(H,31,32)/t26-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FGFR1 using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA


J Med Chem 60: 6018-6035 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00076
BindingDB Entry DOI: 10.7270/Q2K939NC
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50240811
PNG
(CHEMBL4091460)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(N[C@H](CO)c2ccccc2)cnc1-c1cc(Cl)ccc1O
Show InChI InChI=1S/C27H23ClN4O2/c1-16-21-11-18(7-9-24(21)32-31-16)22-13-20(30-25(15-33)17-5-3-2-4-6-17)14-29-27(22)23-12-19(28)8-10-26(23)34/h2-14,25,30,33-34H,15H2,1H3,(H,31,32)/t25-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FGFR1 using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA


J Med Chem 60: 6018-6035 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00076
BindingDB Entry DOI: 10.7270/Q2K939NC
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50240810
PNG
(CHEMBL4095830)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(NC[C@H](O)c2ccccc2)cnc1-c1cc(Cl)ccc1O
Show InChI InChI=1S/C27H23ClN4O2/c1-16-21-11-18(7-9-24(21)32-31-16)22-13-20(29-15-26(34)17-5-3-2-4-6-17)14-30-27(22)23-12-19(28)8-10-25(23)33/h2-14,26,29,33-34H,15H2,1H3,(H,31,32)/t26-/m0/s1
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n/an/a 168n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FGFR1 using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA


J Med Chem 60: 6018-6035 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00076
BindingDB Entry DOI: 10.7270/Q2K939NC
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50240809
PNG
(CHEMBL4077448)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1cc(F)cc(F)c1O
Show InChI InChI=1S/C27H22F2N4O2/c1-15-20-9-17(7-8-24(20)33-32-15)21-12-19(31-25(14-34)16-5-3-2-4-6-16)13-30-26(21)22-10-18(28)11-23(29)27(22)35/h2-13,25,31,34-35H,14H2,1H3,(H,32,33)/t25-/m0/s1
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n/an/a 64n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FGFR1 using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA


J Med Chem 60: 6018-6035 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00076
BindingDB Entry DOI: 10.7270/Q2K939NC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50159284
PNG
(CHEMBL3786572)
Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C26H30N4O4/c1-32-21-10-6-20(7-11-21)24-27-28-25(34-24)26(31)30-16-12-23(13-17-30)33-22-8-4-19(5-9-22)18-29-14-2-3-15-29/h4-11,23H,2-3,12-18H2,1H3
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n/an/a 28n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins...


J Med Chem 59: 2497-511 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50159284
PNG
(CHEMBL3786572)
Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C26H30N4O4/c1-32-21-10-6-20(7-11-21)24-27-28-25(34-24)26(31)30-16-12-23(13-17-30)33-22-8-4-19(5-9-22)18-29-14-2-3-15-29/h4-11,23H,2-3,12-18H2,1H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by IonWork assay


J Med Chem 59: 2497-511 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS
More data for this
Ligand-Target Pair